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1246814-96-9 | 1H-Imidazole-5-propanoic acid, α-hydroxy-, hydrate (1:1), (αR)-
CAS No: 1246814-96-9 Catalog No: AG000MM6 MDL No:
Product Description
Catalog Number:
AG000MM6
Chemical Name:
1H-Imidazole-5-propanoic acid, α-hydroxy-, hydrate (1:1), (αR)-
CAS Number:
1246814-96-9
Molecular Formula:
C6H10N2O4
Molecular Weight:
174.1546
IUPAC Name:
(2S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid;hydrate
InChI:
InChI=1S/C6H8N2O3.H2O/c9-5(6(10)11)1-4-2-7-3-8-4;/h2-3,5,9H,1H2,(H,7,8)(H,10,11);1H2/t5-;/m0./s1
InChI Key:
LJUYTQBGWOQLKC-JEDNCBNOSA-N
SMILES:
O[C@H](C(=O)O)Cc1cnc[nH]1.O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
174.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
174.156g/mol
Monoisotopic Mass:
174.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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